(2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid

C12H13N3O4 — CID 167843922

IUPAC(2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid
SMILESCOc1cccc(-c2noc(N[C@@H](C)C(=O)O)n2)c1
InChIInChI=1S/C12H13N3O4/c1-7(11(16)17)13-12-14-10(15-19-12)8-4-3-5-9(6-8)18-2/h3-7H,1-2H3,(H,16,17)(H,13,14,15)/t7-/m0/s1
InChIKeyVMAQHDWMIQWJGQ-ZETCQYMHSA-N
MW263.25 g/mol
LogP1.63
Rot. Bonds5

About (2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid

(2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid (PubChem CID 167843922) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is (2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid
PubChem CID167843922
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name(2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid
SMILESCOc1cccc(-c2noc(N[C@@H](C)C(=O)O)n2)c1
InChIInChI=1S/C12H13N3O4/c1-7(11(16)17)13-12-14-10(15-19-12)8-4-3-5-9(6-8)18-2/h3-7H,1-2H3,(H,16,17)(H,13,14,15)/t7-/m0/s1
InChIKeyVMAQHDWMIQWJGQ-ZETCQYMHSA-N
XLogP1.63
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine
CID 46342240
methyl 4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoate
CID 6461496
N-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686712
(2S)-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-3-methylbutanoic acid
CID 122049627
(2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride
CID 119342829
(1R)-1-[1-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]cyclopropyl]-2-methylpropan-1-ol
CID 97258783
methyl N-[4-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]carbamate
CID 133317526
3-(3-methoxyphenyl)-5-[(1R)-1-phenoxyethyl]-1,2,4-oxadiazole
CID 7356906
3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20952768
N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342228
3-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342235
N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342231

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid (CID 167843922) is (2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid is COc1cccc(-c2noc(N[C@@H](C)C(=O)O)n2)c1.
What is the InChIKey of (2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid?
The InChIKey is VMAQHDWMIQWJGQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-7(11(16)17)13-12-14-10(15-19-12)8-4-3-5-9(6-8)18-2/h3-7H,1-2H3,(H,16,17)(H,13,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid?
(2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid has a molecular weight of 263.25 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid is sourced from PubChem (CID 167843922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).